tert-butyl (4R)-4-[(4R,5R)-5-[methoxy(methyl)carbamoyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C18H32N2O7 — CID 90075085

IUPACtert-butyl (4R)-4-[(4R,5R)-5-[methoxy(methyl)carbamoyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCON(C)C(=O)[C@@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H32N2O7/c1-16(2,3)27-15(22)20-11(10-24-17(20,4)5)12-13(14(21)19(8)23-9)26-18(6,7)25-12/h11-13H,10H2,1-9H3/t11-,12-,13-/m1/s1
InChIKeyVCIHTDMFJWWKQK-JHJVBQTASA-N
MW388.46 g/mol
LogP1.90
Rot. Bonds3

About tert-butyl (4R)-4-[(4R,5R)-5-[methoxy(methyl)carbamoyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-4-[(4R,5R)-5-[methoxy(methyl)carbamoyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 90075085) has the molecular formula C18H32N2O7 and a molecular weight of 388.46 g/mol. Its IUPAC name is tert-butyl (4R)-4-[(4R,5R)-5-[methoxy(methyl)carbamoyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[(4R,5R)-5-[methoxy(methyl)carbamoyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID90075085
Molecular FormulaC18H32N2O7
Molecular Weight388.46 g/mol
Exact Mass388.22
IUPAC Nametert-butyl (4R)-4-[(4R,5R)-5-[methoxy(methyl)carbamoyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCON(C)C(=O)[C@@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H32N2O7/c1-16(2,3)27-15(22)20-11(10-24-17(20,4)5)12-13(14(21)19(8)23-9)26-18(6,7)25-12/h11-13H,10H2,1-9H3/t11-,12-,13-/m1/s1
InChIKeyVCIHTDMFJWWKQK-JHJVBQTASA-N
XLogP1.90
TPSA86.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[(4R,5R)-5-[methoxy(methyl)carbamoyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[(4R,5R)-5-[methoxy(methyl)carbamoyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 90075085) is tert-butyl (4R)-4-[(4R,5R)-5-[methoxy(methyl)carbamoyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[(4R,5R)-5-[methoxy(methyl)carbamoyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[(4R,5R)-5-[methoxy(methyl)carbamoyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CON(C)C(=O)[C@@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R)-4-[(4R,5R)-5-[methoxy(methyl)carbamoyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is VCIHTDMFJWWKQK-JHJVBQTASA-N. The full InChI is InChI=1S/C18H32N2O7/c1-16(2,3)27-15(22)20-11(10-24-17(20,4)5)12-13(14(21)19(8)23-9)26-18(6,7)25-12/h11-13H,10H2,1-9H3/t11-,12-,13-/m1/s1.
What are the key properties of tert-butyl (4R)-4-[(4R,5R)-5-[methoxy(methyl)carbamoyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-4-[(4R,5R)-5-[methoxy(methyl)carbamoyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 388.46 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[(4R,5R)-5-[methoxy(methyl)carbamoyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 90075085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).